Norovirus Files

Design of multi-epitope based vaccines for Norovirus. These Norovirus data were subsequently screened for complete structural protein selection via VaxiJen v2.0 to predict antigenic proteins. Depending on T-cell and B-cell epitope prediction, these antigenic peptides are further screened based on major histocompatibility complex (MHC) class I binding, proteasomal C terminal cleavage, and TAP transport efficiency using NetCTL1.2 Server. The promising epitopes were then selected, based on toxicity (ToxinPred), antigenicity (VaxiJen v2.0), allergenicity (AllerTop v.2.0), conservancy (ECA IEDB Suite), and higher immunogenicity (C1I IEDB Suite) filtration. These epitopes should then be identified by (MHC) I alleles and MHC II alleles which are present in the endoplasmic reticulum, so that it can bind to them, and can be brought to the surface of the cell, where a T-cell and a B-cell can identify to produce an antibody. In order to bind these epitopes with alleles, the 3D structures of epitopes were generated and the corresponding allele was retrieved from RCSB to perform docking. The stability and conformational changes of these two bindings along with their dynamic interactions are then analyzed, through molecular dynamics.

针对诺如病毒（Norovirus）的多表位疫苗设计研究如下：首先，研究人员通过VaxiJen v2.0工具对诺如病毒数据集进行完整结构蛋白筛选，以预测抗原蛋白。基于T细胞与B细胞表位的预测结果，结合主要组织相容性复合体（MHC）I类分子结合能力、蛋白酶体C端切割效率以及TAP转运效率，通过NetCTL1.2服务器对抗原肽开展进一步筛选。随后，基于毒性预测工具ToxinPred、抗原性预测工具VaxiJen v2.0、致敏性预测工具AllerTop v.2.0、保守性分析工具ECA IEDB Suite以及高免疫原性筛选工具C1I IEDB Suite的多维度标准，筛选得到具有应用潜力的候选表位。上述候选表位需与内质网中存在的MHC I类及MHC II类等位基因结合，随后被转运至细胞表面，以供T细胞与B细胞识别并介导抗体产生。为实现表位与等位基因的精准结合，研究人员生成候选表位的三维结构，并从RCSB数据库中调取对应等位基因的结构信息，开展分子对接实验。最后，通过分子动力学模拟手段，对该结合复合物的稳定性、构象变化及其动态相互作用进行分析。